Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18231528 | 0.76 | PARP1 (0.52) | PARP1HDAC6SMN1; SMN2MEN1KMT2A | |
| SCHEMBL12649456 | 0.76 | PARP1 (0.52) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL13862756 | 0.73 | CA12 (0.46) | PARP1CES2CES1HDAC1PKM | |
| SCHEMBL18962686 | 0.73 | PARP1 (0.48) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL7929747 | 0.72 | CES2 (0.68) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL11075718 | 0.71 | CES2 (0.54) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL11075716 | 0.71 | CES2 (0.54) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL4078123 | 0.71 | CES2 (0.65) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL16953336 | 0.69 | CES2 (0.62) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL18867942 | 0.68 | PARP1 (1.00) | PARP1CES2CES1HDAC1HDAC6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1939189-A1 | DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2008-07-02 | — | — | EP | disclosed |